tert-butyl 4-(1,3-dihydroxypropyl)piperidine-1-carboxylate

C13H25NO4 — CID 22293485

IUPACtert-butyl 4-(1,3-dihydroxypropyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(O)CCO)CC1
InChIInChI=1S/C13H25NO4/c1-13(2,3)18-12(17)14-7-4-10(5-8-14)11(16)6-9-15/h10-11,15-16H,4-9H2,1-3H3
InChIKeyQYEMNUAUNXODLZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.38
Rot. Bonds3

About tert-butyl 4-(1,3-dihydroxypropyl)piperidine-1-carboxylate

tert-butyl 4-(1,3-dihydroxypropyl)piperidine-1-carboxylate (PubChem CID 22293485) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is tert-butyl 4-(1,3-dihydroxypropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1,3-dihydroxypropyl)piperidine-1-carboxylate
PubChem CID22293485
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Nametert-butyl 4-(1,3-dihydroxypropyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(O)CCO)CC1
InChIInChI=1S/C13H25NO4/c1-13(2,3)18-12(17)14-7-4-10(5-8-14)11(16)6-9-15/h10-11,15-16H,4-9H2,1-3H3
InChIKeyQYEMNUAUNXODLZ-UHFFFAOYSA-N
XLogP1.38
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(1,3-dihydroxypropyl)piperidine-1-carboxylate;tert-butyl 4-(3-ethoxy-1-hydroxy-3-oxopropyl)piperidine-1-carboxylate
CID 159306829
tert-butyl (3S)-3-[(1S)-1-hydroxypropyl]pyrrolidine-1-carboxylate
CID 58104614
tert-butyl 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 129073944
tert-butyl 4-(5-hydroxy-4-methylpentan-2-yl)piperidine-1-carboxylate
CID 142325179
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 4-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate
CID 59868425
tert-butyl 4-(2-hydroxypentyl)piperidine-1-carboxylate
CID 18423469
tert-butyl 3-(1-hydroxynonyl)pyrrolidine-1-carboxylate
CID 107092858
tert-butyl 3-(1-hydroxy-3-methylsulfanylpropyl)pyrrolidine-1-carboxylate
CID 66859760
tert-butyl 4-[(1R,2S)-2-amino-1-hydroxybutyl]piperidine-1-carboxylate
CID 86336778
tert-butyl 4-(4-hydroxybutan-2-ylamino)piperidine-1-carboxylate
CID 79692176
tert-butyl 4-(2-fluoro-3-hydroxypropyl)piperidine-1-carboxylate
CID 53302080

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1,3-dihydroxypropyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1,3-dihydroxypropyl)piperidine-1-carboxylate (CID 22293485) is tert-butyl 4-(1,3-dihydroxypropyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1,3-dihydroxypropyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1,3-dihydroxypropyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(O)CCO)CC1.
What is the InChIKey of tert-butyl 4-(1,3-dihydroxypropyl)piperidine-1-carboxylate?
The InChIKey is QYEMNUAUNXODLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-13(2,3)18-12(17)14-7-4-10(5-8-14)11(16)6-9-15/h10-11,15-16H,4-9H2,1-3H3.
What are the key properties of tert-butyl 4-(1,3-dihydroxypropyl)piperidine-1-carboxylate?
tert-butyl 4-(1,3-dihydroxypropyl)piperidine-1-carboxylate has a molecular weight of 259.35 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1,3-dihydroxypropyl)piperidine-1-carboxylate is sourced from PubChem (CID 22293485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).